Geometry & MOs

Info

ID:	85075
PubChem CID:	49871590
Reduced:	CH (22)
Stoich.:	AB (22)
Weight, g/mol:	239.115758
ΔH_f, kcal/mol:	69.83
Dipole, Da:	1.25
IP(EA), eV:	-8.84(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (1S,4S,5S)-5-formyl-3-oxo-2-azabicyclo[2.2.1]heptane-2-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)[C@H]2[C@@H](C=CC2=C)/C=C/C3=CC=CC=C3)C

DOS

IR

Vibrations